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Chemical ID: 7302102

CCOC(=O)c1c(c2ccccc2nc1COC(=O)Cc3ccc(c(c3)OC)OC)C

Chemical ID:

7302102

Name [?]:

ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

SMILES [?]:

CCOC(=O)c1c(c2ccccc2nc1COC(=O)Cc3ccc(c(c3)OC)OC)C

InChi [?]:

InChI=1/C24H25NO6/c1-5-30-24(27)23-15(2)17-8-6-7-9-18(17)25-19(23)14-31-22(26)13-16-10-11-20(28-3)21(12-16)29-4/h6-12H,5,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,31,30,28,2,10,11,9,12,22,23,26,20,16,7,21,8,13,15,24,25,18,6,4,14,19,5,29,27,3,17/rA:31nCCOCOCCCCCCCCNCCOCOCCCCCCCOCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₆
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.88526
Area:	673.026
Solvation:	-6.94038
Coulombic:	-57.6999

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.458
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.03
LogP (Chemaxon):	3.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value